BALL::ConnectedComponentsProcessor Class Reference

#include <BALL/STRUCTURE/connectedComponentsProcessor.h>

Inheritance diagram for BALL::ConnectedComponentsProcessor:

Public Types
Type definitions
typedef std::vector< Atom * >	Component
typedef std::vector< Component >	ComponentVector
Public Types inherited from BALL::UnaryFunctor< AtomContainer, Processor::Result >
typedef Processor::Result	result_type
typedef AtomContainer	argument_type
typedef AtomContainer &	argument_reference
typedef const AtomContainer &	const_argument_reference
typedef AtomContainer *	argument_pointer
typedef const AtomContainer *	const_argument_pointer

Public Member Functions
	BALL_CREATE (ConnectedComponentsProcessor)
Constructors and Destructors
	ConnectedComponentsProcessor ()
	Default Constructor. More...
virtual	~ConnectedComponentsProcessor ()
	Destructor. More...
Processor-related methods
virtual bool	start ()
	Processor method which is called before the operator()-call. More...
void	clear ()
virtual Processor::Result	operator() (AtomContainer &ac)
virtual bool	finish ()
	Processor method which is called after the operator()-call. More...
Accessors.
Size	getNumberOfConnectedComponents ()
	Return the number of connected components found. More...
ComponentVector &	getComponents ()
	Return the vector of connected components. More...
const ComponentVector &	getComponents () const
	Return the vector of connected components, const variant. More...
Size	splitIntoMolecules (System &to_split)
Public Member Functions inherited from BALL::UnaryProcessor< AtomContainer >
	UnaryProcessor ()
	UnaryProcessor (const UnaryProcessor &)
virtual	~UnaryProcessor ()

Protected Attributes
ComponentVector	components_

Detailed Description

Connected Component ProcessorComputation of the connected components of the molecular graph.

Definition at line 20 of file connectedComponentsProcessor.h.

Member Typedef Documentation

typedef std::vector<Atom*> BALL::ConnectedComponentsProcessor::Component

Definition at line 27 of file connectedComponentsProcessor.h.

typedef std::vector<Component> BALL::ConnectedComponentsProcessor::ComponentVector

Definition at line 28 of file connectedComponentsProcessor.h.

Constructor & Destructor Documentation

BALL::ConnectedComponentsProcessor::ConnectedComponentsProcessor

(

)

Default Constructor.

virtual BALL::ConnectedComponentsProcessor::~ConnectedComponentsProcessor ( )

virtual

Destructor.

Member Function Documentation

BALL::ConnectedComponentsProcessor::BALL_CREATE

(

ConnectedComponentsProcessor

)

void BALL::ConnectedComponentsProcessor::clear

(

)

Clears the data structures.

virtual bool BALL::ConnectedComponentsProcessor::finish ( )

virtual

Processor method which is called after the operator()-call.

Reimplemented from BALL::UnaryProcessor< AtomContainer >.

ComponentVector& BALL::ConnectedComponentsProcessor::getComponents

(

)

Return the vector of connected components.

const ComponentVector& BALL::ConnectedComponentsProcessor::getComponents

(

)

const

Return the vector of connected components, const variant.

Size BALL::ConnectedComponentsProcessor::getNumberOfConnectedComponents

(

)

Return the number of connected components found.

virtual Processor::Result BALL::ConnectedComponentsProcessor::operator() ( AtomContainer &  ac )

virtual

Operator () for the processor

Reimplemented from BALL::UnaryProcessor< AtomContainer >.

Size BALL::ConnectedComponentsProcessor::splitIntoMolecules

(

System &

to_split

)

Split a System into its connected components.

This function inserts one Molecule per connected component into to_split. The Atoms will be re-parented and ripped out of their previous parents. Note that this destroys any further hierarchical organization (e.g. Chains, Fragments, ...) that was previously present.

This function will apply the connected component computation itself, so it is not necessary to call apply() previously.

Parameters

to_split

the System to split

Returns

Size - the number of connected components

virtual bool BALL::ConnectedComponentsProcessor::start ( )

virtual

Processor method which is called before the operator()-call.

Reimplemented from BALL::UnaryProcessor< AtomContainer >.

Member Data Documentation

ComponentVector BALL::ConnectedComponentsProcessor::components_

protected

Definition at line 96 of file connectedComponentsProcessor.h.